| Experimental and DFT studies on the molecular structure, spectroscopic properties, and molecular docking of 4-phenylpiperazine-1-ium dihydrogen phosphate O Noureddine, S Gatfaoui, SA Brandan, A Sagaama, H Marouani, ... Journal of Molecular Structure 1207, 127762, 2020 | 102 | 2020 |
| Quantum chemical studies on molecular structure, AIM, ELF, RDG and antiviral activities of hybrid hydroxychloroquine in the treatment of COVID-19: Molecular docking and DFT … O Noureddine, N Issaoui, M Medimagh, O Al-Dossary, H Marouani Journal of King Saud University-Science 33 (2), 101334, 2021 | 100 | 2021 |
| Insight into non-covalent interactions in a tetrachlorocadmate salt with promising NLO properties: experimental and computational analysis I Jomaa, N Issaoui, T Roisnel, H Marouani Journal of Molecular Structure 1242, 130730, 2021 | 81 | 2021 |
| Structural, docking and spectroscopic studies of a new piperazine derivative, 1-Phenylpiperazine-1, 4-diium bis (hydrogen sulfate) O Noureddine, S Gatfaoui, SA Brandán, H Marouani, N Issaoui Journal of Molecular Structure 1202, 127351, 2020 | 72 | 2020 |
| Quantum chemical calculations, spectroscopic properties and molecular docking studies of a novel piperazine derivative O Noureddine, N Issaoui, S Gatfaoui, O Al-Dossary, H Marouani Journal of King Saud University-Science 33 (2), 101283, 2021 | 68 | 2021 |
| Experimental, computational, and in silico analysis of (C8H14N2) 2 [CdCl6] compound I Jomaa, O Noureddine, S Gatfaoui, N Issaoui, T Roisnel, H Marouani Journal of Molecular Structure 1213, 128186, 2020 | 66 | 2020 |
| Synthesis and physic-chemical properties of a novel chromate compound with potential biological applications, bis (2-phenylethylammonium) chromate (VI) S Trabelsi, N Issaoui, SA Brandán, F Bardak, T Roisnel, A Atac, ... Journal of Molecular Structure 1185, 168-182, 2019 | 62 | 2019 |
| Synthesis and characterization of p-xylylenediaminium bis (nitrate). Effects of the coordination modes of nitrate groups on their structural and vibrational properties S Gatfaoui, N Issaoui, SA Brandán, T Roisnel, H Marouani Journal of Molecular Structure 1151, 152-168, 2018 | 60 | 2018 |
| Molecular modeling and biological activity analysis of new organic-inorganic hybrid: 2-(3, 4-dihydroxyphenyl) ethanaminium nitrate M Medimagh, N Issaoui, S Gatfaoui, O Al-Dossary, AS Kazachenko, ... Journal of King Saud University-Science 33 (8), 101616, 2021 | 59 | 2021 |
| Synthesis, experimental, theoretical study and molecular docking of 1-ethylpiperazine-1, 4-diium bis (nitrate) S Gatfaoui, A Sagaama, N Issaoui, T Roisnel, H Marouani Solid State Sciences 106, 106326, 2020 | 58 | 2020 |
| A tetrachlorocobaltate (II) salt with 2-amino-5-picolinium: Synthesis, theoretical and experimental characterization M Tahenti, S Gatfaoui, N Issaoui, T Roisnel, H Marouani Journal of Molecular Structure 1207, 127781, 2020 | 56 | 2020 |
| A proton transfer compound template phenylethylamine: synthesis, a collective experimental and theoretical investigations S Gatfaoui, N Issaoui, T Roisnel, H Marouani Journal of Molecular Structure 1191, 183-196, 2019 | 54 | 2019 |
| Synthesis, experimental and computational study of a non-centrosymmetric material 3- methylbenzylammonium trioxonitrate HM S. Gatfaoui, N. Issaoui, T. Roisnel Journal of Molecular Structure, 2020 | 53* | 2020 |
| Synthesis, molecular structure, vibrational and theoretical studies of a new non-centrosymmetric organic sulphate with promising NLO properties CB M'leh, SA Brandán, N Issaoui, T Roisnel, H Marouani Journal of Molecular Structure 1171, 771-785, 2018 | 51 | 2018 |
| Synthesis, structural and spectroscopic features, and investigation of bioactive nature of a novel organic-inorganic hybrid material 1H-1, 2, 4-triazole-4-ium trioxonitrate S Gatfaoui, N Issaoui, A Mezni, F Bardak, T Roisnel, A Atac, H Marouani Journal of Molecular Structure 1150, 242-257, 2017 | 50 | 2017 |
| Empirical and computational studies on newly synthesis cyclohexylammonium perchlorate C Daghar, N Issaoui, T Roisnel, V Dorcet, H Marouani Journal of Molecular Structure 1230, 129820, 2021 | 48 | 2021 |
| DFT and molecular docking study of the effect of a green solvent (water and DMSO) on the structure, MEP, and FMOs of the 1-ethylpiperazine-1, 4-diium bis (hydrogenoxalate) compound M Medimagh, CB Mleh, N Issaoui, AS Kazachenko, T Roisnel, ... Journal of Molecular Liquids 369, 120851, 2023 | 35 | 2023 |
| Synthesis, characterization, Hirshfeld surface analysis and antioxidant activity of a novel organic-inorganic hybrid material 1-methylpiperazine-1, 4-diium bis (nitrate) S Gatfaoui, A Mezni, T Roisnel, H Marouani Journal of Molecular Structure 1139, 52-59, 2017 | 25 | 2017 |
| Synthesis, characterization, Hirshfeld surface analysis and computational studies of 1-methylpiperazine-1, 4-diium bis (hydrogen oxalate):[C5H14N2](HC2O4) 2 M Essid, S Muhammad, H Marouani, A Saeed, Z Aloui, AG Al-Sehemi Journal of Molecular Structure 1211, 128075, 2020 | 22 | 2020 |
| Impact of non-covalent interactions on FT-IR spectrum and properties of 4-methylbenzylammonium nitrate. A DFT and molecular docking study M Medimagh, N Issaoui, S Gatfaoui, SA Brandán, O Al-Dossary, ... Heliyon 7 (10), 2021 | 21 | 2021 |
